UCSF

ZINC44647271

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 12 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.27 -2.38 -49.26 5 5 1 89 174.224 6
Hi High (pH 8-9.5) -1.27 -3.75 -16.87 4 5 0 84 173.216 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )